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Multicomponent syntheses of pyrazoles via (3 + 2)-cyclocondensation and (3 + 2)-cycloaddition key steps

Ignaz Betcke, Alissa C. Götzinger, Maryna M. Kornet and Thomas J. J. Müller

Beilstein J. Org. Chem. 2024, 20, 2024–2077. https://doi.org/10.3762/bjoc.20.178

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Chemical structure C<sub>12</sub>H<sub>12</sub>N<sub>2</sub>

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Extracted from

Scheme 83

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₂H₁₂N₂
Molecular Weight	184.24 g/mol
Exact Mass	184.1001 Da
InChI	InChI=1S/C12H12N2/c1-2-4-11(5-3-1)14-9-8-12(13-14)10-6-7-10/h1-5,8-10H,6-7H2
InChIKey	OEWSYKLASVSAMP-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)N2C=CC(=N2)C3CC3
Number of Atoms	26
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	11
XLogP	1.9

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